A novel iron complex containing an N,O-type bidentate oxazoline ligand: Synthesis, X-ray studies, DFT calculations and catalytic activity

被引：9

作者：

Amini, Mojtaba ^{[1
]}

Arab, Ali ^{[2
]}

Derakhshandeh, Parviz Gohari ^{[3
]}

Bagherzadeh, Mojtaba ^{[3
]}

Ellern, Arkady ^{[4
]}

Woo, L. Keith ^{[4
]}

机构：

[1] Univ Maragheh, Fac Sci, Dept Chem, Maragheh, Iran

[2] Semnan Univ, Dept Chem, Semnan, Iran

[3] Sharif Univ Technol, Dept Chem, Tehran, Iran

[4] Iowa State Univ, Dept Chem, Ames, IA 50011 USA

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2014年 / 133卷

基金：

美国国家科学基金会;

关键词：

Iron complex; Oxazoline; Crystal structure; Sulfide oxidation; DFT calculations; SCHIFF-BASE COMPLEX; SELECTIVE OXIDATION; SULFIDE OXIDATION; CRYSTAL-STRUCTURES; SULFOXIDES; EFFICACY; ACID;

D O I：

10.1016/j.saa.2014.06.012

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

A five-coordinated Fe(III) complex with the distorted trigonal bipyramidal configuration was synthesized by reactions of FeCl3 center dot 6H(2)O and 2-(2'-hydroxyphenyl)oxazoline (Hphox) as a bidentate O-N donor oxazaline ligand. Complex [Fe(phox)(2)Cl] was fully characterized, including by single-crystal X-ray structure analysis. DFT calculations were accompanied with experimental results in order to obtain a deeper insight into the electronic structure and vibrational normal modes of complex. Oxidation of sulfides to sulfoxides in one-step was conducted by this complex as catalyst using urea hydrogen peroxide (UHP) in mixture of CH2Cl2/CH3OH (1:1) under air at room temperature. The results show that using this system in oxidation of sulfides, sulfoxides are obtained as the main products, together with variable amounts of sulfones (<= 13%), depending on the nature of the substrate. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：432 / 438

页数：7

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